8GLB
 
 | | Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate | | 分子名称: | 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase | | 著者 | Pathirage, R, Ronning, D, Favrot, L. | | 登録日 | 2023-03-21 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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8GMI
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8GMK
 | | Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ... | | 著者 | Pathirage, R, Ronning, D, Yamsek, M. | | 登録日 | 2023-03-26 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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8GI7
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8GM9
 | | Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pathirage, R, Ronning, D, Favrot, L. | | 登録日 | 2023-03-24 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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8GLL
 | | R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | 著者 | Pathirage, R, Ronning, D, Petit, C. | | 登録日 | 2023-03-22 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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8GIW
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8GMF
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7USI
 | | BRD2-BD1 in complex with MDP5 | | 分子名称: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7USH
 | | BRD2-BD2 in complex with SF2523 | | 分子名称: | 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2 | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7USK
 | | BRD4-BD2 Ligand free | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7USJ
 | | BRD4-BD2 in complex with SF2523 | | 分子名称: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7UVD
 | | Sco GlgEI-V279S in complex with cyclohexyl carbasugar | | 分子名称: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Sco GlgEI-V279S in complex with cyclohexyl carbasugar
To Be Published
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8FX9
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7USG
 | | BRD2-BD2 in complex with MDP5 | | 分子名称: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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8S9D
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8S97
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7SEX
 | | M. tb EgtD in complex with TGX221 | | 分子名称: | 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Histidine N-alpha-methyltransferase | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SEY
 | | M. tb EgtD in complex with SGH | | 分子名称: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SEW
 | | M. tb EgtD in complex with HD6 | | 分子名称: | 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ... | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SF5
 | | M. tb EgtD in complex with HD3 | | 分子名称: | Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-03 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SF4
 | | M. tb EgtD in complex with imatinib | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-4-PYRIDYL-PYRIMIDINE, GLYCEROL, ... | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-03 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SCF
 | | M. tb EgtD in complex with HD2 | | 分子名称: | (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-09-28 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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6P3H
 | | Crystal structure of LigU(K66M) bound to substrate | | 分子名称: | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid, (4E)-oxalomesaconate Delta-isomerase, CHLORIDE ION | | 著者 | Cory, S.A, Hogancamp, T.N, Raushel, F.M, Barondeau, D.P. | | 登録日 | 2019-05-23 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structure and Chemical Reaction Mechanism of LigU, an Enzyme That Catalyzes an Allylic Isomerization in the Bacterial Degradation of Lignin.
Biochemistry, 58, 2019
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4XHV
 | | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | | 著者 | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | | 登録日 | 2015-01-06 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
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